Compound Identification
SMILES
CC1=C(C)C=C(NC2=NC(NN=CC3=CC=C(O3)C3=CC=C(Cl)C=C3)=NC(NC3=CC=C(C=C3)[N+]([O-])=O)=N2)C=C1
InChIKey
InChIKey=XIVIGPAMTUYQAB-UHFFFAOYSA-N
Formula
C28H23ClN8O3
Mass
555.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
o-Xylenes 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Nitroaromatic compounds Chlorobenzenes Aryl chlorides 1,3,5-triazines Heteroaromatic compounds Furans Organic oxoazanium compounds Hydrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organochlorides Organic zwitterions Organic salts Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - O-xylene - Xylene - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3,5-triazine - Triazine - Heteroaromatic compound - Furan - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Azacycle - Hydrazone - Organic oxoazanium - Organic salt - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available